4',5-Dihydroxy-7-methylflavone

Details

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Internal ID 640a3f0b-cfbd-494b-93e5-a94ef4883c0f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
SMILES (Canonical) CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
SMILES (Isomeric) CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
InChI InChI=1S/C16H12O4/c1-9-6-12(18)16-13(19)8-14(20-15(16)7-9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
InChI Key SDTOABMYDICPQU-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O4
Molecular Weight 268.26 g/mol
Exact Mass 268.07355886 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 2.50

Synonyms

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4',5-dihydroxy-7-methylflavone

2D Structure

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2D Structure of 4',5-Dihydroxy-7-methylflavone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 95.76% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.13% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.38% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.85% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.54% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.42% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 91.69% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 91.60% 94.73%
CHEMBL242 Q92731 Estrogen receptor beta 91.50% 98.35%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.08% 99.15%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.56% 93.65%
CHEMBL3194 P02766 Transthyretin 88.20% 90.71%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.65% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.59% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.02% 99.23%
CHEMBL1978 P11511 Cytochrome P450 19A1 82.90% 91.76%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 82.26% 90.93%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 80.95% 89.23%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.54% 91.38%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arnica viscosa
Dracocephalum multicaule

Cross-Links

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PubChem 60082424
LOTUS LTS0111437
wikiData Q105250829